(4-nitrophenyl) (2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoate

Systemtic Name: (4-nitrophenyl) (2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoate Openeye Name: (4-nitrophenyl) (2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]pentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoate Traditional Name: (2S,3R)-3-methyl-2-[[(2R)-1-methylpipecoloyl]amino]valeric acid (4-nitrophenyl) ester Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCCN2C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H]2CCCCN2C

InChI

InChI=1S/C19H27N3O5/c1-4-13(2)17(20-18(23)16-7-5-6-12-21(16)3)19(24)27-15-10-8-14(9-11-15)22(25)26/h8-11,13,16-17H,4-7,12H2,1-3H3,(H,20,23)/t13-,16-,17+/m1/s1